%chk=000033028.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033028

0 1
 O    1.801100       3.428800     -1.2200000E-02
 O   -2.247100       2.518700     -0.2511000    
 N   -1.434100      0.3041000     -4.9600001E-02
 N  -0.3222000     -0.5438000     -1.0700000E-02
 N   0.4092000       3.471500     -9.5600002E-02
 C    1.115800       1.314700     -3.0800000E-02
 C   0.8995000     -9.7199999E-02 -1.3400000E-02
 C   3.3300001E-02   2.190300     -9.2299998E-02
 C    2.210700       2.130100      3.4800000E-02
 C   -1.327900       1.716300     -0.1352000    
 C    2.028400      -1.047700      1.9099999E-02
 C   -2.685600     -0.4153000     -5.4000001E-03
 C    3.659200       1.910600      0.1352000    
 C    2.543100      -1.479800       1.241600    
 C    2.580000      -1.515600      -1.173700    
 C   -3.811200      0.1792000      0.5644000    
 C   -2.767800      -1.704100     -0.5316000    
 C    3.608800      -2.379500       1.271200    
 C    3.645700      -2.415100      -1.144100    
 C   -5.019900     -0.5156000      0.6077000    
 C   -3.976500      -2.398900     -0.4882000    
 C    4.160100      -2.847100      7.8400001E-02
 C   -5.102600      -1.804700      8.1400000E-02
 H    4.021900       1.321700     -0.7125000    
 H    4.207600       2.858100      0.1400000    
 H    3.906700       1.379000       1.058900    
 H    2.121200      -1.121800       2.177100    
 H    2.187000      -1.185700      -2.131900    
 H   -3.777800       1.164900       1.017200    
 H   -1.914100      -2.190200     -0.9961000    
 H    4.009400      -2.715600       2.223100    
 H    4.075100      -2.779000      -2.073000    
 H   -5.894900     -5.6600001E-02   1.058800    
 H   -4.042100      -3.401500     -0.9006000    
 H    4.989900      -3.547300      0.1014000    
 H   -6.043300      -2.346300      0.1164000    


%chk=000033028-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033028

0 1
O 1.783846 3.557519 -0.439585
O -2.400119 2.411841 -0.589504
N -1.400960 0.322507 -0.043781
N -0.286207 -0.522026 0.049183
N 0.320720 3.551813 -0.549702
C 1.174462 1.386257 -0.248920
C 0.954724 -0.037345 -0.061691
C 0.017126 2.236273 -0.417558
C 2.269737 2.259207 -0.246423
C -1.366404 1.723803 -0.377333
C 2.039310 -1.054919 0.013306
C -2.661331 -0.391886 0.110621
C 3.746822 2.154560 -0.053439
C 1.925225 -2.144153 0.918208
C 3.166033 -0.991950 -0.849881
C -3.808602 0.255504 0.632666
C -2.714191 -1.764484 -0.237689
C 2.925392 -3.136718 0.971651
C 4.163944 -1.989399 -0.797912
C -5.003879 -0.477950 0.794458
C -3.915887 -2.483109 -0.071700
C 4.051031 -3.061808 0.116812
C -5.067950 -1.845263 0.443565
H 4.283133 2.151361 -1.020989
H 4.111235 3.021456 0.523548
H 4.005482 1.228354 0.481172
H 1.047317 -2.197857 1.569607
H 3.242129 -0.186883 -1.589322
H -3.778256 1.313721 0.893859
H -1.815475 -2.252430 -0.621281
H 2.829311 -3.967492 1.679159
H 5.021021 -1.935947 -1.478162
H -5.887708 0.028067 1.197626
H -3.950598 -3.542417 -0.348880
H 4.827320 -3.833613 0.158509
H -6.001152 -2.404995 0.568503


